B5K8LQ
-OEChem-04042103523D
38 41 0 0 0 0 0 0 0999 V2000
-1.9858 -2.8144 0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0605 3.3081 0.0036 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9890 -1.8868 -0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4095 -1.0372 -0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6882 1.1308 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8366 1.9366 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0917 0.2985 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3325 0.6405 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5181 -0.4324 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0704 -0.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7303 0.1861 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7319 -1.2087 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4631 1.0033 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3484 -1.6571 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4451 2.1867 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8065 -1.3860 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9580 0.8329 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8507 1.2006 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7652 3.0580 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8752 -1.9902 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7101 0.1038 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1891 -1.1867 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1385 0.0735 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0974 -1.3276 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0919 -0.6710 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4830 -0.0667 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4399 -2.4079 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2677 2.2050 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0587 1.9101 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3731 3.0307 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2262 4.0103 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3758 3.0306 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8284 -3.0730 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7937 -2.0836 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1004 0.5801 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0238 -1.8948 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3961 1.2697 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0623 -1.9549 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 25 2 0 0 0 0
4 26 1 0 0 0 0
4 38 1 0 0 0 0
5 26 2 0 0 0 0
6 8 1 0 0 0 0
6 15 1 0 0 0 0
6 19 1 0 0 0 0
7 21 1 0 0 0 0
7 25 1 0 0 0 0
7 37 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
10 13 2 0 0 0 0
10 16 1 0 0 0 0
11 12 1 0 0 0 0
11 17 2 0 0 0 0
12 14 1 0 0 0 0
12 20 2 0 0 0 0
13 15 1 0 0 0 0
13 18 1 0 0 0 0
16 22 2 0 0 0 0
16 27 1 0 0 0 0
17 23 1 0 0 0 0
17 29 1 0 0 0 0
18 21 2 0 0 0 0
18 28 1 0 0 0 0
19 30 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
20 24 1 0 0 0 0
20 33 1 0 0 0 0
21 22 1 0 0 0 0
22 34 1 0 0 0 0
23 24 2 0 0 0 0
23 35 1 0 0 0 0
24 36 1 0 0 0 0
25 26 1 0 0 0 0
M END
$$$$